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Compound Detail

CHEMBL405203

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Cc1sc(N)nc1-c1cccc(C(F)(F)F)c1F

Basic Information

ChEMBL ID CHEMBL405203
Phase Preclinical
Structure Type MOL
InChI Key KJWSGZGNAKYXEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.86
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8F4N2S
MW 276.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.46

Activity Summary

EC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 6.27 6.27 540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thrombopoietin receptor EC50 = 540.0 nM 6.27 Agonist activity at TPO receptor 18396041

Literature References

PubMed DOI Target Context # Activities
18396041 10.1016/j.bmcl.2008.03.052 Thrombopoietin receptor 1

Data from ChEMBL 36 via Core Engine